2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide

C14H9BrF6N4O2 — CID 134542803

IUPAC2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide
SMILESOCc1nc(NN=C(Br)C(F)(F)F)cnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9BrF6N4O2/c15-12(13(16,17)18)25-24-10-5-22-11(9(6-26)23-10)7-1-3-8(4-2-7)27-14(19,20)21/h1-5,26H,6H2,(H,23,24)
InChIKeyHYQGXSCBIMTDOF-UHFFFAOYSA-N
MW459.14 g/mol
LogP4.22
Rot. Bonds5

About 2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide

2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide (PubChem CID 134542803) has the molecular formula C14H9BrF6N4O2 and a molecular weight of 459.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide
PubChem CID134542803
Molecular FormulaC14H9BrF6N4O2
Molecular Weight459.14 g/mol
Exact Mass457.98
IUPAC Name2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide
SMILESOCc1nc(NN=C(Br)C(F)(F)F)cnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9BrF6N4O2/c15-12(13(16,17)18)25-24-10-5-22-11(9(6-26)23-10)7-1-3-8(4-2-7)27-14(19,20)21/h1-5,26H,6H2,(H,23,24)
InChIKeyHYQGXSCBIMTDOF-UHFFFAOYSA-N
XLogP4.22
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.14
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(methoxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]-2-(2,2,2-trifluoroethyl)hydrazine
CID 156533253
[3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134623616
[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 133089338
[2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134618312
methyl 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134633979
methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635686
2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089301
4-[6-butyl-3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]benzoic acid
CID 138532490
[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 133086821
[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134629503
[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol
CID 23205017
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086673

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide?
The IUPAC name of 2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide (CID 134542803) is 2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide.
What is the SMILES notation for 2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide?
The canonical SMILES for 2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide is OCc1nc(NN=C(Br)C(F)(F)F)cnc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide?
The InChIKey is HYQGXSCBIMTDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF6N4O2/c15-12(13(16,17)18)25-24-10-5-22-11(9(6-26)23-10)7-1-3-8(4-2-7)27-14(19,20)21/h1-5,26H,6H2,(H,23,24).
What are the key properties of 2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide?
2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide has a molecular weight of 459.14 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide is sourced from PubChem (CID 134542803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).